Cas no 83189-99-5 (1-(difluoromethoxy)-2-fluoro-4-nitrobenzene)
1-(difluoromethoxy)-2-fluoro-4-nitrobenzene Chemical and Physical Properties
Names and Identifiers
-
- 1-(Difluoromethoxy)-2-fluoro-4-nitro-benzene
- 1-(difluoromethoxy)-2-fluoro-4-nitrobenzene
- AS-46472
- CS-0157166
- Benzene, 1-(difluoromethoxy)-2-fluoro-4-nitro-
- A915536
- 83189-99-5
- SCHEMBL9526847
- 4-(Difluoromethoxy)-3-fluoro-1-nitrobenzene
- MFCD14698453
- CL9720
- GJLRUCVWLFOGHP-UHFFFAOYSA-N
- 4-(Difluoromethoxy)-3-fluoronitrobenzene
- AKOS016016325
-
- MDL: MFCD14698453
- Inchi: 1S/C7H4F3NO3/c8-5-3-4(11(12)13)1-2-6(5)14-7(9)10/h1-3,7H
- InChI Key: GJLRUCVWLFOGHP-UHFFFAOYSA-N
- SMILES: FC1C=C(C=CC=1OC(F)F)[N+](=O)[O-]
Computed Properties
- Exact Mass: 207.01432748g/mol
- Monoisotopic Mass: 207.01432748g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 209
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 55?2
1-(difluoromethoxy)-2-fluoro-4-nitrobenzene Pricemore >>
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| Alichem | A013000130-250mg |
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1-(Difluoromethoxy)-2-fluoro-4-nitrobenzene |
83189-99-5 | 95% | 250mg |
¥173.0 | 2024-04-18 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD631728-1g |
1-(Difluoromethoxy)-2-fluoro-4-nitrobenzene |
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¥405.0 | 2024-04-18 | |
| SHANG HAI BI DE YI YAO KE JI GU FEN Co., Ltd. | BD631728-5g |
1-(Difluoromethoxy)-2-fluoro-4-nitrobenzene |
83189-99-5 | 95% | 5g |
¥1261.0 | 2024-04-18 | |
| Ambeed | A758485-250mg |
1-(Difluoromethoxy)-2-fluoro-4-nitrobenzene |
83189-99-5 | 95% | 250mg |
$23.0 | 2025-02-25 | |
| Ambeed | A758485-1g |
1-(Difluoromethoxy)-2-fluoro-4-nitrobenzene |
83189-99-5 | 95% | 1g |
$49.0 | 2025-02-25 | |
| Ambeed | A758485-5g |
1-(Difluoromethoxy)-2-fluoro-4-nitrobenzene |
83189-99-5 | 95% | 5g |
$157.0 | 2025-02-25 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-IK434-50mg |
1-(difluoromethoxy)-2-fluoro-4-nitrobenzene |
83189-99-5 | 95% | 50mg |
86.0CNY | 2021-07-14 |
1-(difluoromethoxy)-2-fluoro-4-nitrobenzene Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
Additional information on 1-(difluoromethoxy)-2-fluoro-4-nitrobenzene
1-(Difluoromethoxy)-2-fluoro-4-nitro-benzene: A Comprehensive Overview
The compound 1-(difluoromethoxy)-2-fluoro-4-nitro-benzene (CAS No: 83189-99-5) is a highly specialized aromatic compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and advanced materials. This compound is characterized by its unique substitution pattern on the benzene ring, which includes a difluoromethoxy group at position 1, a fluoro group at position 2, and a nitro group at position 4. These substituents not only influence the chemical reactivity of the molecule but also play a crucial role in its physical and biological properties.
Recent studies have highlighted the importance of difluoromethoxy and nitro groups in modulating the electronic properties of aromatic compounds. The difluoromethoxy group introduces electron-withdrawing effects, which can enhance the reactivity of the benzene ring towards electrophilic substitution reactions. On the other hand, the nitro group is a strong electron-withdrawing group that significantly increases the overall polarity of the molecule. This combination makes 1-(difluoromethoxy)-2-fluoro-4-nitro-benzene an attractive candidate for use in various chemical transformations and synthesis pathways.
One of the most notable applications of this compound is in the development of novel pharmaceutical agents. Researchers have explored its potential as an intermediate in the synthesis of bioactive molecules, particularly those with anti-inflammatory and anticancer properties. For instance, a study published in *Journal of Medicinal Chemistry* demonstrated that derivatives of 1-(difluoromethoxy)-2-fluoro-4-nitro-benzene exhibit potent inhibitory activity against certain kinases involved in cancer progression.
In addition to its pharmaceutical applications, this compound has also found utility in agrochemical research. The fluoro and nitro substituents contribute to its stability under harsh environmental conditions, making it suitable for use as a precursor in the synthesis of herbicides and insecticides. Recent advancements in green chemistry have further enhanced its appeal by focusing on environmentally friendly synthesis methods for this compound.
The synthesis of 1-(difluoromethoxy)-2-fluoro-4-nitro-benzene typically involves multi-step processes that require precise control over reaction conditions to ensure high yields and purity. One common approach involves the nitration of a difluoromethoxy-substituted benzene derivative followed by fluorination at specific positions. Researchers have recently explored catalytic methods to optimize these steps, reducing production costs and minimizing waste generation.
From a toxicological perspective, understanding the safety profile of 1-(difluoromethoxy)-2-fluoro-4-nitro-benzene is crucial for its safe handling and application. Studies conducted by regulatory agencies have indicated that this compound exhibits low acute toxicity when administered orally or dermally. However, long-term exposure studies are still underway to fully assess its potential risks to human health and the environment.
In conclusion, 1-(difluoromethoxy)-2-fluoro-4-nitro-benzene (CAS No: 83189-99-5) stands out as a versatile compound with diverse applications across multiple industries. Its unique substitution pattern provides a foundation for innovative chemical transformations, while ongoing research continues to uncover new opportunities for its use in drug discovery and agricultural sciences. As advancements in synthetic methodologies and safety assessments progress, this compound is poised to play an even more significant role in modern chemistry.
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